Geometry & MOs

Info

ID:	245150
PubChem CID:	99437703
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-141.02
Dipole, Da:	4.31
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(propylsulfonylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations